6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C19H18F3N5O2S — CID 118045158

IUPAC6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
InChIKeyOZUJXIBTTXJPEX-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.76
Rot. Bonds7

About 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 118045158) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID118045158
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29)
InChIKeyOZUJXIBTTXJPEX-UHFFFAOYSA-N
XLogP3.76
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 118045158) is 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is CN(CCO)c1ncc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1-c1ccn[nH]1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OZUJXIBTTXJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-27(8-9-28)17-15(16-6-7-24-26-16)10-12(11-23-17)18(29)25-13-2-4-14(5-3-13)30-19(20,21)22/h2-7,10-11,28H,8-9H2,1H3,(H,24,26)(H,25,29).
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118045158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).